民國100年,Distinguish Lectureship Award in Physical Chemistry by Chemical Society of Japan
民國101年,Career Development Award, Academia Sinica
民國101年,Distinguish Lectureship Award in Theoretical Chemistryby Chemical Society of Japan
民國101年,Junior Researcher Award, Academia Sinica
民國102年,Young Scholars' Creativity Award, Foundational for Advancement of Outstanding Scholars, Taiwan
民國102年,Promsing Scientist Award of CMOA, France
民國103年,Young Scholar Award, Shui-Mu Foundation of Chemistry, Taiwan
民國105年,Mid-career Award, Asian Consortium on Computational Materials Science, Japan
代表作
Po-Jen Hsu, Kun-Lin Ho, Sheng-Hsieng Lin, and Jer-Lai Kuo, ''Exploration of hydrogen bond networks and potential energy surfaces of methanol clusters: From empirical model to density functional theory'', Phys. Chem. Chem. Phys., 19, 544 (2017)
Jake A. Tan, Jheng-Wei Li, Cheng-chau Chiu, Hai Thi Huynh, and Jer-Lai Kuo, ''Tuning the Vibrational Coupling of H3O+ by Changing Its Solvation Environment '', Phys. Chem. Chem. Phys., 18, 30721–30732 (2016)
Kun-Lin Ho, Lo-Yun Lee, Marusu Katada, Asuka Fujii, and Jer-Lai Kuo, ''An Ab-Initio Anharmonic Approach to Study Vibrational Spectra of Small Ammonia Clusters'', Phys. Chem. Chem. Phys., 18, 30498–30506 (2016)
Amol Deshmukh, Cheng-chau Chiu, Yun-Wen Chen, and Jer-Lai Kuo, ''Tunable Gravimetric and Volumetric Hydrogen Storage Capacities in Polyhedral Oligomeric Silsesquioxane Frameworks'', ACS Applied Materials & Interfaces, 8, 25219–25228 (2016)
Darwin B. Putungan, Shi-Hsin Lin, and Jer-Lai Kuo, ''Metallic VS2 monolayer polytypes as potential Sodium ion battery anode via ab-initio random structure searching'', ACS Applied Materials & Interfaces, 8, 18754–18762 (2016)
Tzu-Jen Lin, Cheng-Rong Hsing, Ching-Ming Wei and Jer-Lai Kuo, ''Structure Prediction of the Solid Forms of Methanol: An Ab Initio Random Structure Searching Approach'', Phys. Chem. Chem. Phys., 18, 2736 (2016)
Jake A. Tan and Jer-Lai Kuo, ''Strong and Sensitive Coupling in the Intermolecular Proton Bond: The Case of (MeOH)2H+'', J. Phys. Chem. A., 119, 11320–11328 (2015)
Jheng-Wei Li, Masato Morita, Kaito Takahashi, and Jer-Lai Kuo, ''Features in Vibrational Spectra Induced by Ar-tagging for H3O+Arm, m=0-3'', J. Phys. Chem. A., 119, 10887–10892 (2015)
Ying-Cheng Li, Toru Hamashima, Ryoko Yamazaki, Tomohiro Kobayashi, Yuta Suzuki, Kenta Mizuse, Asuka Fujii, and Jer-Lai Kuo, ''Hydrogen-bonded ring closing and opening of protonated methanol clusters H+(CH3OH)n (n = 4 - 8) with the inert gas tagging'', Phys. Chem. Chem. Phys., 17, 22042-22053 (2015)
Darwin Barayang Putungan, Shi-Hsin Lin, and Jer-Lai Kuo, ''First-principles examination of conducting monolayer 1T′-MX2 (M = Mo, W; X = S, Se, Te): Promising catalysts for hydrogen evolution reaction and its enhancement by strain'', Phys. Chem. Chem. Phys., 17, 21702-21708 (2015)
Liang-Chun Liu and Jer-Lai Kuo, ''A LAMMPS implementation of volume-temperature replica exchange molecular dynamics'', Communication of Computational Physics, 189, 119-127 (2015)
Yun-Wen Chen, Yaojun Du, and Jer-Lai Kuo, ''The Removal of Water Adsorbates on GaN Surfaces via Hopping Processes and with the Aid of a Pt4 Cluster – an Ab Initio Study'', J. Phys. Chem. C, 118, 20383 (2014)
E-P Lu, P-R Pan, Ying-Cheng Li, Ming-Kang Tsai, and Jer-Lai Kuo, ''Structural evolution and solvation of the OH radical in ionized water radical cations (H2O)n+, n = 5-8'', Phys. Chem. Chem. Phys., 16, 18888 (2014)